4-(diethylamino)penta-2,4-dienal

C9H15NO — CID 73413894

IUPAC4-(diethylamino)penta-2,4-dienal
SMILESC=C(C=CC=O)N(CC)CC
InChIInChI=1S/C9H15NO/c1-4-10(5-2)9(3)7-6-8-11/h6-8H,3-5H2,1-2H3
InChIKeyMGFUEBHEPIGBAF-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.60
Rot. Bonds5

About 4-(diethylamino)penta-2,4-dienal

4-(diethylamino)penta-2,4-dienal (PubChem CID 73413894) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4-(diethylamino)penta-2,4-dienal.

Molecular Properties

Compound Name4-(diethylamino)penta-2,4-dienal
PubChem CID73413894
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4-(diethylamino)penta-2,4-dienal
SMILESC=C(C=CC=O)N(CC)CC
InChIInChI=1S/C9H15NO/c1-4-10(5-2)9(3)7-6-8-11/h6-8H,3-5H2,1-2H3
InChIKeyMGFUEBHEPIGBAF-UHFFFAOYSA-N
XLogP1.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)penta-2,4-dienal?
The IUPAC name of 4-(diethylamino)penta-2,4-dienal (CID 73413894) is 4-(diethylamino)penta-2,4-dienal.
What is the SMILES notation for 4-(diethylamino)penta-2,4-dienal?
The canonical SMILES for 4-(diethylamino)penta-2,4-dienal is C=C(C=CC=O)N(CC)CC.
What is the InChIKey of 4-(diethylamino)penta-2,4-dienal?
The InChIKey is MGFUEBHEPIGBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-10(5-2)9(3)7-6-8-11/h6-8H,3-5H2,1-2H3.
What are the key properties of 4-(diethylamino)penta-2,4-dienal?
4-(diethylamino)penta-2,4-dienal has a molecular weight of 153.22 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)penta-2,4-dienal is sourced from PubChem (CID 73413894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).